Ethyl 2-cyano-3,3-bis(sulfanyl)prop-2-enoate structure

Ethyl 2-cyano-3,3-bis(sulfanyl)prop-2-enoate

ethyl 2-cyano-3,3-bis(sulfanyl)prop-2-enoate

Also Known As: ethyl 2-cyano-3,3-disulfanylprop-2-enoate|J1.258.540C|2-Cyano-3,3-dimercaptoacrylic acid ethyl ester|3,3-Dimercapto-2-cyanoacrylic acid ethyl ester|ethyl 2-cyano-3,3-bis(sulfanyl)prop-2-enoate|ethyl 2-cyano-3,3-bis-sulfanyl-prop-2-enoate|2-Cyano-3,3-dimercaptopropenoic acid ethyl ester

CAS: 4247-45-4
Molecular Formula C6H7NO2S2
Molecular Weight 188.99182 g/mol
LogP 1.2
Topological Polar Surface Area 52.1 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 3
Exact Mass 188.99182
Monoisotopic Mass 188.99182
Heavy Atoms 11
Complexity 234.0

Chemical Identifiers

CAS Number 4247-45-4
SMILES CCOC(=O)C(=C(S)S)C#N
InChIKey KTUBFTKISQJMKP-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (2 patents) Specialty Chemicals (2 patents)

Product Overview

Ethyl 2-cyano-3,3-bis(sulfanyl)prop-2-enoate (CAS 4247-45-4), with molecular formula C6H7NO2S2 and molecular weight 188.99182 g/mol. IUPAC: ethyl 2-cyano-3,3-bis(sulfanyl)prop-2-enoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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